Human Gut Microbiome Metabolism of 12 Bioactive Coumarins via LC-MS/MS

Metabolomics data from a screen of 12 structurally diverse bioactive coumarins using semitargeted LC-MS/MS and ex vivo cultures of human feces. The dataset was created by Gabrielle Mingolelli and last updated on 2026-04-28. It investigates a specific microbial pathway that reduces the α,β-unsaturated lactone in coumarins, a class of natural products and drug scaffolds.

Use Cases

• Identify gut microbial species capable of metabolizing coumarins based on the monoculture screen of 11 species.
• Study the impact of microbial metabolism on drug bioactivity based on the diminished cytotoxicity of methoxsalen metabolites.
• Model the scope of the α,β-unsaturated lactone reduction pathway based on the screening of isocoumarin, simple, furano, pyrano, and prenylated coumarins.
• Validate the enzymatic activity of specific reductases like N-ethylmaleimide reductase from Escherichia coli on coumarin substrates.

Strengths

• Focuses on a specific, well-defined metabolic pathway (α,β-unsaturated lactone reduction) for a class of 12 bioactive compounds.
• Includes validation from a monoculture screen identifying 11 microbial species with the metabolic capability.
• Links microbial metabolism to a functional outcome, showing diminished cytotoxicity of a metabolite against cancer cells.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• The dataset size is 1.8 MB, indicating a relatively small-scale study.

Provenance

Source

figshare, author Gabrielle Mingolelli.

Collection Method

Data generated via semitargeted LC-MS/MS metabolomics and ex vivo cultures of human feces, followed by a monoculture screen of microbiome isolates.

Freshness

Last updated 2026-04-28 10:14:53; freshness should be verified.

Geography

Likely associated with human samples, but specific geography is not stated.